Motions in hemoglobin studied by normal mode analysis and energy minimization: evidence for the existence of tertiary T-like, quaternary R-like intermediate structures.

摘要: Abstract The normal mode analysis of human hemoglobin showed the presence in deoxy T-state one main preferential direction that brings structure close to R-state, with a low-energy variation, while oxy R-state there are several modes point towards T-state, but higher energy variations and less contribution transition. displacement along combination modes, followed by minimization, starting from did not allow obtain significantly different R, showing fully oxygenated is trapped deep narrow potential minimum. On contrary, yielded an intermediate structure, we designate T d 1 min , which closer R; indicated minimum vicinity this as R deep. procedure was applied yielding 2 ; then repeated, structures 3 4 . each other, indicating they narrow, This revealed existence at least two sets between R: first one, structures, second set, quaternary R-like tertiary T-like, where contacts interfaces α β R-like, heme environments still T-like.